SCHEMBL28017805

SCHEMBL28017805

O=[S+]C1Sc2ccccc2N1NC1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.39
TSHR P16473 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2A P28223 1/20 0.37
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
P2RX1 P51575 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX4 Q99571 1/20 0.35
P2RX7 Q99572 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27706968 0.67 BCHE (0.34) BCHESMN1; SMN2
SCHEMBL6534530 0.66 BCHE (0.44) BCHESMN1; SMN2TSHRL3MBTL1HTR2A
SCHEMBL27566723 0.65 SIGMAR1 (0.41) MEN1KMT2A
SCHEMBL3263751 0.62 ALDH1A1 (0.42) BCHESMN1; SMN2TSHRL3MBTL1
SCHEMBL81015 0.60 BCHE (0.39) BCHESMN1; SMN2TSHRL3MBTL1HTR2A
SCHEMBL13166605 0.60 BCHE (1.00) BCHESMN1; SMN2TSHRHTR2AP2RX1
SCHEMBL9267910 0.58 BCHE (0.37) BCHESMN1; SMN2TSHRL3MBTL1HTR2A
SCHEMBL9779195 0.58 BCHE (0.39) BCHESMN1; SMN2HTR2A
SCHEMBL8166963 0.58 BCHE (0.39) BCHESMN1; SMN2HTR2A
SCHEMBL11551196 0.58 BCHE (0.39) BCHESMN1; SMN2HTR2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104704037-A Method of manufacturing an elastomeric product with a low hysteresis APOLLO VREDESTEIN BV 2015-06-10 CN disclosed
CN-104662083-A Polymer composition and moulded articles thereof APOLLO VREDESTEIN BV 2015-05-27 CN disclosed